N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine

C14H23NS — CID 79446723

IUPACN,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine
SMILESCCC(C)C(CSc1cccc(C)c1)NC
InChIInChI=1S/C14H23NS/c1-5-12(3)14(15-4)10-16-13-8-6-7-11(2)9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyQJRWUVQKPUZWNP-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.72
Rot. Bonds6

About N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine

N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine (PubChem CID 79446723) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine
PubChem CID79446723
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine
SMILESCCC(C)C(CSc1cccc(C)c1)NC
InChIInChI=1S/C14H23NS/c1-5-12(3)14(15-4)10-16-13-8-6-7-11(2)9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyQJRWUVQKPUZWNP-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
CID 106808414
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The IUPAC name of N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine (CID 79446723) is N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine is CCC(C)C(CSc1cccc(C)c1)NC.
What is the InChIKey of N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The InChIKey is QJRWUVQKPUZWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-12(3)14(15-4)10-16-13-8-6-7-11(2)9-13/h6-9,12,14-15H,5,10H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 79446723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).